Geometry & MOs

Info

ID:	445507
PubChem CID:	135267499
Reduced:	ClF3N3H13C15 (1)
Stoich.:	AB3C3D13E15 (1)
Weight, g/mol:	546.200251
ΔH_f, kcal/mol:	-96.42
Dipole, Da:	7.89
IP(EA), eV:	-8.72(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-(2-cyanophenoxy)-5-(trifluoromethyl)-1,4-dihydropyrimidin-2-yl]amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide

Drug info:

PubChemData

Smile

CNC1=C(N=C(C=C1)Cl)C(=C)NC2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations